Text Search
Structure Search

2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Formula: C21H23N3O2S2

SMILES: CC(SC1=NC2=CC=C(NC(C)=O)C=C2S1)C(=O)NC1=C(C)C=C(C)C=C1C

IUPAC: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

InChI: InChI=1/C21H23N3O2S2/c1-11-8-12(2)19(13(3)9-11)24-20(26)14(4)27-21-23-17-7-6-16(22-15(5)25)10-18(17)28-21/h6-10,14H,1-5H3,(H,22,25)(H,24,26)

Composition: C (60.99%), H (5.61%), N (10.16%), O (7.74%), S (15.50%)

Molar Mass: 413.55

Atom Count: 51

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 413.123169341
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RWFLLBXEJXJIBI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 118.35
Topological Polar Surface Area 71.09
Polarizability 45.19
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H23N3O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote